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| Main Authors: | , , , , , , |
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| Format: | Preprint |
| Published: |
2025
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2502.07485 |
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Table of Contents:
- The nature of low-impurity ferromagnetism remains a challenging problem in the solid-state community. Despite initial experiments dating back to the mid-20th century, a comprehensive theoretical explanation and reliable ab initio evaluations have remained elusive. The present research aims to bridge this gap by refining first-principle calculations by elucidating the magnetic and electronic behavior of Pd1-xMx alloys (where M = Mn, Fe, Co, Ni). Our study includes calculations of magnetic properties throughout the range of impurity concentrations, from 1 to 100 atomic percent (at.%), where we estimate critical concentrations and perform a comparative analysis for the listed alloys. Furthermore, electronic structure was analyzed, including the calculations of atomic, spin, and orbital-resolved states density, and exploration of the spatial formation of magnetic clusters containing ferromagnetic impurities across all concentration ranges.